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2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetonitrile

2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetonitrile

CAS: 339098-98-5

Formula: C11H7NOS2

SMILES: O=C(C1=CC=CS1)C1=CC=C(CC#N)S1

IUPAC: 2-[5-(thiophene-2-carbonyl)thiophen-2-yl]acetonitrile

InChI: InChI=1S/C11H7NOS2/c12-6-5-8-3-4-10(15-8)11(13)9-2-1-7-14-9/h1-4,7H,5H2

Composition: C (56.63%), H (3.02%), N (6.00%), O (6.86%), S (27.48%)

Molar Mass: 233.3

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.996906197
Formal Charge 0
FSP3 0.09
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ACXFNDXOHKVXSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.48
Topological Polar Surface Area 40.86
Polarizability 22.87
Ring Count 2
Rotatable Bond Count 3

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90% <2 Days 339098-98-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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